MOLECULAR OMICS DATA STRUCTURE IMPLEMENTATION METHOD BASED ON DATA INDEPENDENT ACQUISITION MASS SPECTRUM

摘要

The present invention relates to the technical field of biomolecular omics mass spectrum data, and particularly relates to a molecular omics data structure implementation method based on a data independent acquisition (DIA) mass spectrum. The mass spectrum data structure is DIA tensor (DIAT) data generated from original mass spectrum data, and has three dimensions of attributes: the first dimension is a cycle index, the second dimension is a fragment ion mass-to-charge ratio, and the third dimension is a precursor ion window index corresponding to a fragment ion. The DIAT data according to the present application has high integrity, is easy to read, and has a fast reading speed. The size of a DIAT file is only a few tenths of an mzXML file. By means of a visualized pooled DIAT file image, the DIA mass spectrum data can be directly observed, and a DIAT can be directly analyzed by using a visual processing algorithm, thereby avoiding the operation of extracting ion chromatographic peaks with a large amount of calculation. Moreover, a computer deep learning model for clinical sample classification can be directly established according to the file.